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Sources
623716
Source:
http://linkedlifedata.com/resource/chembl/compound/623716
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Subject
(
33
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C14H17N3O/c18-17-10-13(11-6-8-15-9-7-11)14(16-17)12-4-2-1-3-5-12/h1-5,10-11,15,18H,6-9H2
chemicalCompound:standardIn...
ANXSGXNESLKHJQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
On1cc(C2CCNCC2)c(n1)c3ccccc3
chemicalCompound:molecularF...
C14H17N3O
chemicalCompound:moleculeId
623716
chemicalCompound:mwFreebase
243.304
chemicalCompound:alogp
0.022
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
50.08
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
8.876
chemicalCompound:acdLogP
2
chemicalCompound:acdLogD
-0.477
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
243.304
chemicalCompound:acdMostBpk...
10.15
chemicalCompound:chemblId
CHEMBL1093500
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:723716
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No